4-(4-ethylphenoxy)-6-fluoropyrimidin-2-amine

C12H12FN3O — CID 748211

IUPAC4-(4-ethylphenoxy)-6-fluoropyrimidin-2-amine
SMILESCCc1ccc(Oc2cc(F)nc(N)n2)cc1
InChIInChI=1S/C12H12FN3O/c1-2-8-3-5-9(6-4-8)17-11-7-10(13)15-12(14)16-11/h3-7H,2H2,1H3,(H2,14,15,16)
InChIKeyVMELCJIACMBLAX-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.55
Rot. Bonds3

About 4-(4-ethylphenoxy)-6-fluoropyrimidin-2-amine

4-(4-ethylphenoxy)-6-fluoropyrimidin-2-amine (PubChem CID 748211) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 4-(4-ethylphenoxy)-6-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-ethylphenoxy)-6-fluoropyrimidin-2-amine
PubChem CID748211
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name4-(4-ethylphenoxy)-6-fluoropyrimidin-2-amine
SMILESCCc1ccc(Oc2cc(F)nc(N)n2)cc1
InChIInChI=1S/C12H12FN3O/c1-2-8-3-5-9(6-4-8)17-11-7-10(13)15-12(14)16-11/h3-7H,2H2,1H3,(H2,14,15,16)
InChIKeyVMELCJIACMBLAX-UHFFFAOYSA-N
XLogP2.55
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-ethylphenoxy)-6-fluoropyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenoxy)-6-fluoropyrimidin-2-amine?
The IUPAC name of 4-(4-ethylphenoxy)-6-fluoropyrimidin-2-amine (CID 748211) is 4-(4-ethylphenoxy)-6-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(4-ethylphenoxy)-6-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(4-ethylphenoxy)-6-fluoropyrimidin-2-amine is CCc1ccc(Oc2cc(F)nc(N)n2)cc1.
What is the InChIKey of 4-(4-ethylphenoxy)-6-fluoropyrimidin-2-amine?
The InChIKey is VMELCJIACMBLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-2-8-3-5-9(6-4-8)17-11-7-10(13)15-12(14)16-11/h3-7H,2H2,1H3,(H2,14,15,16).
What are the key properties of 4-(4-ethylphenoxy)-6-fluoropyrimidin-2-amine?
4-(4-ethylphenoxy)-6-fluoropyrimidin-2-amine has a molecular weight of 233.25 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenoxy)-6-fluoropyrimidin-2-amine is sourced from PubChem (CID 748211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).